SCHEMBL19951623

SCHEMBL19951623

CNCc1cc(C)c(-c2cc(-c3ccc(N4CCN(C)CC4)nc3)n[nH]2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 5/20 0.45
FLT3 P36888 5/20 0.45
NTRK1 P04629 4/20 0.45
KIT P10721 4/20 0.45
TNKS O95271 3/20 0.42
TDO2 P48775 1/20 0.39
MELK Q14680 1/20 0.39
METAP2 P50579 1/20 0.38
ACVR1B P36896 1/20 0.38
TGFBR1 P36897 1/20 0.38
ALK Q9UM73 3/20 0.38
PRKD1 Q15139 2/20 0.38
HDAC1 Q13547 1/20 0.37
FGFR3 P22607 2/20 0.37
PLK4 O00444 1/20 0.37
JAK2 O60674 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
ABL1 P00519 1/20 0.37
LCK P06239 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19951649 0.82 TNKS (0.53) MAP4K1TNKSTDO2MELKACVR1B
SCHEMBL19951676 0.78 MAP4K1 (0.45) MAP4K1FLT3NTRK1KIT
SCHEMBL19949869 0.77 MAP4K1 (0.45) MAP4K1FLT3NTRK1KITTDO2
SCHEMBL19951650 0.76 ALDH1A1 (0.52) MAP4K1FLT3NTRK1KITALK
SCHEMBL19950196 0.73 MAP4K1 (0.69) MAP4K1FLT3NTRK1KITTDO2
SCHEMBL30069599 0.73 MAP4K1 (0.69) MAP4K1FLT3NTRK1KITTDO2
SCHEMBL28905423 0.70 MAP4K1 (0.54) MAP4K1FLT3NTRK1KITDYRK1A
SCHEMBL30032035 0.70 MAP4K1 (0.54) MAP4K1FLT3NTRK1KITDYRK1A
SCHEMBL20791805 0.70 NTRK1 (0.44) MAP4K1FLT3NTRK1KITRET
SCHEMBL28903755 0.69 TNKS (0.52) MAP4K1TNKSTDO2MELKMETAP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018049214-A9 PYRAZOLOPYRIDINE DERIVATIVES AS HPK1 MODULATORS AND USES THEREOF FOR THE TREATMENT OF CANCER INCYTE CORPORATION (US) 2018-10-18 WO disclosed
WO-2018049214-A1 PYRAZOLOPYRIDINE DERIVATIVES AS HPK1 MODULATORS AND USES THEREOF FOR THE TREATMENT OF CANCER INCYTE CORPORATION (US) 2018-03-15 WO disclosed